[2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-[4-amino-1-ethyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-2-oxoethyl] ester IUPAC Name: [2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-(6-amino-1-benzyl-3-ethyl-2,4-diketo-pyrimidin-5-yl)-2-keto-ethyl] ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)CC)CC2=CC=CC=C2)N

Isomeric SMILES

CCCCC(=O)OCC(=O)C1=C(N(C(=O)N(C1=O)CC)CC2=CC=CC=C2)N

InChI

InChI=1S/C20H25N3O5/c1-3-5-11-16(25)28-13-15(24)17-18(21)23(12-14-9-7-6-8-10-14)20(27)22(4-2)19(17)26/h6-10H,3-5,11-13,21H2,1-2H3